5-[2-(dicyanomethylidene)hydrazinyl]-2-methoxy-N,N-dimethylbenzamide

C13H13N5O2 — CID 169338345

IUPAC5-[2-(dicyanomethylidene)hydrazinyl]-2-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(NN=C(C#N)C#N)cc1C(=O)N(C)C
InChIInChI=1S/C13H13N5O2/c1-18(2)13(19)11-6-9(4-5-12(11)20-3)16-17-10(7-14)8-15/h4-6,16H,1-3H3
InChIKeyYOOFRGLBUYRKSB-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.21
Rot. Bonds4

About 5-[2-(dicyanomethylidene)hydrazinyl]-2-methoxy-N,N-dimethylbenzamide

5-[2-(dicyanomethylidene)hydrazinyl]-2-methoxy-N,N-dimethylbenzamide (PubChem CID 169338345) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-[2-(dicyanomethylidene)hydrazinyl]-2-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name5-[2-(dicyanomethylidene)hydrazinyl]-2-methoxy-N,N-dimethylbenzamide
PubChem CID169338345
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name5-[2-(dicyanomethylidene)hydrazinyl]-2-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(NN=C(C#N)C#N)cc1C(=O)N(C)C
InChIInChI=1S/C13H13N5O2/c1-18(2)13(19)11-6-9(4-5-12(11)20-3)16-17-10(7-14)8-15/h4-6,16H,1-3H3
InChIKeyYOOFRGLBUYRKSB-UHFFFAOYSA-N
XLogP1.21
TPSA101.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[2-(dicyanomethylidene)hydrazinyl]-N,N-dimethylbenzamide
CID 169338231
2-[[4-(3,4-dimethoxybenzoyl)phenyl]hydrazinylidene]propanedinitrile
CID 169341217
2-methoxy-N,N-dimethyl-5-(methylcarbamoylamino)benzamide
CID 74241829
3-[2-(dicyanomethylidene)hydrazinyl]-N,N,2-trimethylbenzamide
CID 169337914
2-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]hydrazinylidene]propanedinitrile
CID 169340481
2-[[3-chloro-4-(dimethylamino)phenyl]hydrazinylidene]propanedinitrile
CID 169337979
5-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-2-methoxybenzoic acid
CID 172976196
5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-2-methoxy-N,N-dimethylbenzamide
CID 168537487
5-(cyclobutanecarbonylamino)-2-methoxy-N,N-dimethylbenzamide
CID 131935340
3-[2-(dicyanomethylidene)hydrazinyl]-4-methoxybenzamide
CID 169341777
2-[[3-(dimethylamino)-4-methylphenyl]hydrazinylidene]propanedinitrile
CID 169340067
N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
CID 131925260

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dicyanomethylidene)hydrazinyl]-2-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 5-[2-(dicyanomethylidene)hydrazinyl]-2-methoxy-N,N-dimethylbenzamide (CID 169338345) is 5-[2-(dicyanomethylidene)hydrazinyl]-2-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 5-[2-(dicyanomethylidene)hydrazinyl]-2-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 5-[2-(dicyanomethylidene)hydrazinyl]-2-methoxy-N,N-dimethylbenzamide is COc1ccc(NN=C(C#N)C#N)cc1C(=O)N(C)C.
What is the InChIKey of 5-[2-(dicyanomethylidene)hydrazinyl]-2-methoxy-N,N-dimethylbenzamide?
The InChIKey is YOOFRGLBUYRKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-18(2)13(19)11-6-9(4-5-12(11)20-3)16-17-10(7-14)8-15/h4-6,16H,1-3H3.
What are the key properties of 5-[2-(dicyanomethylidene)hydrazinyl]-2-methoxy-N,N-dimethylbenzamide?
5-[2-(dicyanomethylidene)hydrazinyl]-2-methoxy-N,N-dimethylbenzamide has a molecular weight of 271.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dicyanomethylidene)hydrazinyl]-2-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 169338345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).